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Geometry for CH3CHF2 (Ethane, 1,1-difluoro-) 1A' CS

1910171554
InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3 INChIKey=NPNPZTNLOVBDOC-UHFFFAOYSA-N

BLYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3273 0.1618 0.0000   0.1900 0.2665 0.1618
C2 -0.9127 1.0431 0.0000   -0.5299 -0.7431 1.0431
H3 1.2752 0.7325 0.0000   0.7404 1.0382 0.7325
F4 0.3273 -0.6519 1.1107   1.0943 -0.3784 -0.6519
F5 0.3273 -0.6519 -1.1107   -0.7142 0.9114 -0.6519
H6 -1.8113 0.4091 0.0000   -1.0517 -1.4747 0.4091
H7 -0.9218 1.6819 0.8949   0.1934 -1.2701 1.6819
H8 -0.9218 1.6819 -0.8949   -1.2638 -0.2309 1.6819
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5213 1.1064 1.3768 1.3768 2.1529 2.1614 2.1614
C2 1.5213 2.2098 2.3757 2.3757 1.0997 1.0996 1.0996
H3 1.1064 2.2098 2.0121 2.0121 3.1034 2.5552 2.5552
F4 1.3768 2.3757 2.0121 2.2213 2.6331 2.6558 3.3210
F5 1.3768 2.3757 2.0121 2.2213 2.6331 3.3210 2.6558
H6 2.1529 1.0997 3.1034 2.6331 2.6331 1.7922 1.7922
H7 2.1614 1.0996 2.5552 2.6558 3.3210 1.7922 1.7898
H8 2.1614 1.0996 2.5552 3.3210 2.6558 1.7922 1.7898
Maximum atom distance is 3.3210Å between atoms F4 and H8.
picture of Ethane, 1,1-difluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F4 110.021 C2 C1 F5 110.021
F4 C1 F5 107.545
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.396 C1 C2 H7 110.079
C1 C2 H8 110.079 C2 C1 H3 113.547
H3 C1 F4 107.749 H3 C1 F5 107.749
H6 C2 H7 109.156 H6 C2 H8 109.156
H7 C2 H8 108.952

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.